CAS RN: 16980-82-8
CAS Name: (E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate
IUPAC Name: methyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)OC)O
Structure:
CAS RN: 91235-43-7
CAS Name: (2S)-2-amino-3-[[(E)-4-amino-1,4-dioxobut-2-enyl]amino]propanoic acid
OPENEYE Name: (2S)-2-amino-3-[[(E)-4-amino-4-oxo-but-2-enoyl]amino]propanoic acid
IUPAC Name: (2S)-2-amino-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[[(E)-4-azanyl-4-oxidanylidene-but-2-enoyl]amino]propanoic acid
MOLECULAR FORMULA: C7H11N3O4
MOLECULAR WEIGHT: 201.17994
SMILES: C([C@@H](C(=O)O)N)NC(=O)/C=C/C(=O)N
Structure:
CAS RN: 91224-36-1
CAS Name: N-[(Z)-2-(4-hydroxyphenyl)ethenyl]formamide
OPENEYE Name: N-[(Z)-2-(4-hydroxyphenyl)vinyl]formamide
IUPAC Name: N-[(Z)-2-(4-hydroxyphenyl)ethenyl]formamide
SYSTEMATIC NAME: N-[(Z)-2-(4-hydroxyphenyl)ethenyl]methanamide
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: C1=CC(=CC=C1/C=C\NC=O)O
Structure:
CAS RN: 91037-29-5
CAS Name: (2S,3S,4S,5R,6S)-6-[(3E)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylenecyclohexyl]oxy-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[(3E)-3-[(2E)-2-[(1R,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylene-cyclohexoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-6-[(3E)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-6-[(3E)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-5-oxidanyl-cyclohexyl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C33H52O8
MOLECULAR WEIGHT: 576.76118
SMILES: C[C@H](CCCC(C)C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C\3/CC(CC(C3=C)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C
Structure:
CAS RN: 16326-32-2
CAS Name: (6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid methyl ester
OPENEYE Name: methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
IUPAC Name: methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
SYSTEMATIC NAME: methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
MOLECULAR FORMULA: C19H32O2
MOLECULAR WEIGHT: 292.45618
SMILES: CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC
Structure:
CAS RN: 16239-84-2
CAS Name: 4-[(E)-2-(5-nitro-2-furanyl)ethenyl]-2-thiazolamine
OPENEYE Name: 4-[(E)-2-(5-nitro-2-furyl)vinyl]thiazol-2-amine
IUPAC Name: 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-2-amine
MOLECULAR FORMULA: C9H7N3O3S
MOLECULAR WEIGHT: 237.23518
SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=C/C2=CSC(=N2)N
Structure:
CAS RN: 90906-88-0
CAS Name: (2E)-2-[(4E)-4-[(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ylidene]-1-cyclohept-2-enylidene]ethanol
OPENEYE Name: (2E)-2-[(4E)-4-[(E)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enylidene]cyclohept-2-en-1-ylidene]ethanol
IUPAC Name: (2E)-2-[(4E)-4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]cyclohept-2-en-1-ylidene]ethanol
SYSTEMATIC NAME: (2E)-2-[(4E)-4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]cyclohept-2-en-1-ylidene]ethanol
MOLECULAR FORMULA: C22H32O
MOLECULAR WEIGHT: 312.48888
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/2\CCC/C(=C\CO)/C=C2)/C
Structure:
CAS RN: 90902-25-3
CAS Name: 6-hydroxy-2-[(1E,3E)-7-hydroxy-3-methylocta-1,3-dienyl]-1,3-dimethyl-4-oxo-1-cyclohex-2-enecarboxylic acid methyl ester
OPENEYE Name: methyl 6-hydroxy-2-[(1E,3E)-7-hydroxy-3-methyl-octa-1,3-dienyl]-1,3-dimethyl-4-oxo-cyclohex-2-ene-1-carboxylate
IUPAC Name: methyl 6-hydroxy-2-[(1E,3E)-7-hydroxy-3-methylocta-1,3-dienyl]-1,3-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
SYSTEMATIC NAME: methyl 1,3-dimethyl-2-[(1E,3E)-3-methyl-7-oxidanyl-octa-1,3-dienyl]-6-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate
MOLECULAR FORMULA: C19H28O5
MOLECULAR WEIGHT: 336.42262
SMILES: CC1=C(C(C(CC1=O)O)(C)C(=O)OC)/C=C/C(=C/CCC(C)O)/C
Structure:
CAS RN: 90832-31-8
CAS Name: N,N-dimethyl-4-[(1E,3E)-4-(3-propyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline
OPENEYE Name: N,N-dimethyl-4-[(1E,3E)-4-(3-propyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline
IUPAC Name: N,N-dimethyl-4-[(1E,3E)-4-(3-propyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[(1E,3E)-4-(3-propyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline
MOLECULAR FORMULA: C22H25N2S+
MOLECULAR WEIGHT: 349.5123
SMILES: CCC[N+]1=C(SC2=CC=CC=C21)/C=C/C=C/C3=CC=C(C=C3)N(C)C
Structure:
CAS RN: 90829-84-8
CAS Name: (2E,4E,6E,8E)-hexacosa-2,4,6,8-tetraenoic acid
OPENEYE Name: (2E,4E,6E,8E)-hexacosa-2,4,6,8-tetraenoic acid
IUPAC Name: (2E,4E,6E,8E)-hexacosa-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2E,4E,6E,8E)-hexacosa-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C26H44O2
MOLECULAR WEIGHT: 388.62636
SMILES: CCCCCCCCCCCCCCCCC/C=C/C=C/C=C/C=C/C(=O)O
Structure:
CAS RN: 90660-23-4
CAS Name: hexadecanoic acid [(2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethylnona-2,4,6,8-tetraenyl] ester
OPENEYE Name: [(2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenyl] hexadecanoate
IUPAC Name: [(2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenyl] hexadecanoate
SYSTEMATIC NAME: [(2Z,4E,6Z,8E)-9-[3,3-bis(fluoranyl)-2,6,6-trimethyl-cyclohexen-1-yl]-3,7-dimethyl-nona-2,4,6,8-tetraenyl] hexadecanoate
MOLECULAR FORMULA: C36H58F2O2
MOLECULAR WEIGHT: 560.841326
SMILES: CCCCCCCCCCCCCCCC(=O)OC/C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C(CCC1(C)C)(F)F)C
Structure:
CAS RN: 91484-94-5
CAS Name: hexadecanoic acid [(2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethylnona-2,4,6,8-tetraenyl] ester
OPENEYE Name: [(2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenyl] hexadecanoate
IUPAC Name: [(2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenyl] hexadecanoate
SYSTEMATIC NAME: [(2Z,4E,6Z,8E)-9-[3,3-bis(fluoranyl)-2,6,6-trimethyl-cyclohexen-1-yl]-3,7-dimethyl-nona-2,4,6,8-tetraenyl] hexadecanoate
MOLECULAR FORMULA: C36H58F2O2
MOLECULAR WEIGHT: 560.841326
SMILES: CCCCCCCCCCCCCCCC(=O)OC/C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C(CCC1(C)C)(F)F)C
Structure:
CAS RN: 90660-21-2
CAS Name: (2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethyl-1-nona-2,4,6,8-tetraenol
OPENEYE Name: (2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-ol
IUPAC Name: (2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-9-[3,3-bis(fluoranyl)-2,6,6-trimethyl-cyclohexen-1-yl]-3,7-dimethyl-nona-2,4,6,8-tetraen-1-ol
MOLECULAR FORMULA: C20H28F2O
MOLECULAR WEIGHT: 322.432526
SMILES: CC1=C(C(CCC1(F)F)(C)C)/C=C/C(=C\C=C\C(=C/CO)\C)/C
Structure:
CAS RN: 90660-22-3
CAS Name: (2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethyl-1-nona-2,4,6,8-tetraenol
OPENEYE Name: (2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraen-1-ol
IUPAC Name: (2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-9-[3,3-bis(fluoranyl)-2,6,6-trimethyl-cyclohexen-1-yl]-3,7-dimethyl-nona-2,4,6,8-tetraen-1-ol
MOLECULAR FORMULA: C20H28F2O
MOLECULAR WEIGHT: 322.432526
SMILES: CC1=C(C(CCC1(F)F)(C)C)/C=C/C(=C\C=C\C(=C/CO)\C)/C
Structure:
CAS RN: 90660-20-1
CAS Name: (2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
OPENEYE Name: (2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
IUPAC Name: (2Z,4E,6Z,8E)-9-(3,3-difluoro-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-9-[3,3-bis(fluoranyl)-2,6,6-trimethyl-cyclohexen-1-yl]-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C20H26F2O2
MOLECULAR WEIGHT: 336.416046
SMILES: CC1=C(C(CCC1(F)F)(C)C)/C=C/C(=C\C=C\C(=C/C(=O)O)\C)/C
Structure:
CAS RN: 90632-48-7
CAS Name: acetic acid [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxo-3-indolyl] ester
OPENEYE Name: [3-[(Z)-2-chloro-2-cyano-vinyl]-1-methyl-2-oxo-indolin-3-yl] acetate
IUPAC Name: [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate
SYSTEMATIC NAME: [3-[(Z)-2-chloranyl-2-cyano-ethenyl]-1-methyl-2-oxidanylidene-indol-3-yl] ethanoate
MOLECULAR FORMULA: C14H11ClN2O3
MOLECULAR WEIGHT: 290.70174
SMILES: CC(=O)OC1(C2=CC=CC=C2N(C1=O)C)/C=C(/C#N)\Cl
Structure:
CAS RN: 90632-49-8
CAS Name: acetic acid [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] ester
OPENEYE Name: [3-[(Z)-2-chloro-2-isocyano-vinyl]-2-oxo-indolin-3-yl] acetate
IUPAC Name: [3-[(Z)-2-chloro-2-isocyanoethenyl]-2-oxo-1H-indol-3-yl] acetate
SYSTEMATIC NAME: [3-[(Z)-2-chloranyl-2-isocyano-ethenyl]-2-oxidanylidene-1H-indol-3-yl] ethanoate
MOLECULAR FORMULA: C13H9ClN2O3
MOLECULAR WEIGHT: 276.67516
SMILES: CC(=O)OC1(C2=CC=CC=C2NC1=O)/C=C(/[N+]#[C-])\Cl
Structure:
CAS RN: 90293-03-1
CAS Name: (Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]-1-cyclopentenyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(4R,5R)-2,4-bis(trimethylsilyloxy)-5-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid
MOLECULAR FORMULA: C29H56O5Si3
MOLECULAR WEIGHT: 569.00844
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=C1C/C=C\CCCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
Structure:
CAS RN: 90288-29-2
CAS Name: (Z,4R)-4-amino-3-chloro-2-pentenedioic acid
OPENEYE Name: (Z,4R)-4-amino-3-chloro-pent-2-enedioic acid
IUPAC Name: (Z,4R)-4-amino-3-chloropent-2-enedioic acid
SYSTEMATIC NAME: (Z,4R)-4-azanyl-3-chloranyl-pent-2-enedioic acid
MOLECULAR FORMULA: C5H6ClNO4
MOLECULAR WEIGHT: 179.55844
SMILES: C(=C(/[C@@H](C(=O)O)N)\Cl)\C(=O)O
Structure:
CAS RN: 90275-02-8
CAS Name: 5-[(E)-2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethenyl]benzene-1,3-diol
OPENEYE Name: 5-[(E)-2-(2,2-dimethyl-1,3-benzodioxol-5-yl)vinyl]benzene-1,3-diol
IUPAC Name: 5-[(E)-2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethenyl]benzene-1,3-diol
SYSTEMATIC NAME: 5-[(E)-2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethenyl]benzene-1,3-diol
MOLECULAR FORMULA: C17H16O4
MOLECULAR WEIGHT: 284.30654
SMILES: CC1(OC2=C(O1)C=C(C=C2)/C=C/C3=CC(=CC(=C3)O)O)C
Structure:
CAS RN: 90068-11-4
CAS Name: (3S)-3-amino-4-[[(2S)-1-[(2R)-1-[(2S)-2-[[(2S)-2-amino-3-carboxy-1-oxopropyl]amino]-1-oxopropyl]-2-(ethylcarbamoyl)-3-[(E)-1-oxoundec-2-enyl]-2-pyrrolidinyl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
OPENEYE Name: (3S)-3-amino-4-[[(1S)-2-[(2R)-1-[(2S)-2-[[(2S)-2-amino-3-carboxy-propanoyl]amino]propanoyl]-2-(ethylcarbamoyl)-3-[(E)-undec-2-enoyl]pyrrolidin-2-yl]-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-amino-4-[[(2S)-1-[(2R)-1-[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]propanoyl]-2-(ethylcarbamoyl)-3-[(E)-undec-2-enoyl]pyrrolidin-2-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-azanyl-4-[[(2S)-1-[(2R)-1-[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoyl]-2-(ethylcarbamoyl)-3-[(E)-undec-2-enoyl]pyrrolidin-2-yl]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C32H52N6O10
MOLECULAR WEIGHT: 680.78948
SMILES: CCCCCCCC/C=C/C(=O)C1CCN([C@]1(C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)N)C(=O)NCC)C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)N
Structure:
CAS RN: 89955-40-8
CAS Name: 3-[(E)-[(3aR,4S,5S,6aR)-4-[(E,3R)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]methyl]benzoic acid
OPENEYE Name: 3-[(E)-[(3aR,4S,5S,6aR)-4-[(E,3R)-3-cyclohexyl-3-hydroxy-prop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]methyl]benzoic acid
IUPAC Name: 3-[(E)-[(3aR,4S,5S,6aR)-4-[(E,3R)-3-cyclohexyl-3-hydroxyprop-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]methyl]benzoic acid
SYSTEMATIC NAME: 3-[(E)-[(3aR,4S,5S,6aR)-4-[(E,3R)-3-cyclohexyl-3-oxidanyl-prop-1-enyl]-5-oxidanyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]methyl]benzoic acid
MOLECULAR FORMULA: C25H32O4
MOLECULAR WEIGHT: 396.51918
SMILES: C1CCC(CC1)[C@H](/C=C/[C@@H]2[C@H](C[C@@H]3[C@H]2C/C(=C/C4=CC(=CC=C4)C(=O)O)/C3)O)O
Structure:
CAS RN: 89886-42-0
CAS Name: (9S,10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid
OPENEYE Name: (9S,10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid
IUPAC Name: (9S,10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid
SYSTEMATIC NAME: (9S,10E,12Z,15Z)-9-oxidanyloctadeca-10,12,15-trienoic acid
MOLECULAR FORMULA: C18H30O3
MOLECULAR WEIGHT: 294.429
SMILES: CC/C=C\C/C=C\C=C\[C@H](CCCCCCCC(=O)O)O
Structure:
CAS RN: 89711-12-6
CAS Name: 2-[3-methyl-4-[(Z)-2-(1-naphthalenyl)ethenyl]-1-pyridin-1-iumyl]ethanamine bromide hydrobromide
OPENEYE Name: 2-[3-methyl-4-[(Z)-2-(1-naphthyl)vinyl]pyridin-1-ium-1-yl]ethanamine bromide hydrobromide
IUPAC Name: 2-[3-methyl-4-[(Z)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]ethanamine bromide hydrobromide
SYSTEMATIC NAME: 2-[3-methyl-4-[(Z)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]ethanamine bromide hydrobromide
MOLECULAR FORMULA: C20H22Br2N2
MOLECULAR WEIGHT: 450.21008
SMILES: CC1=C(C=C[N+](=C1)CCN)/C=C\C2=CC=CC3=CC=CC=C32.Br.[Br-]
Structure:
CAS RN: 89711-04-6
CAS Name: (E)-4-[[(2S)-2-acetamido-1-oxo-3-phenylpropyl]amino]-2-butenoic acid
OPENEYE Name: (E)-4-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]but-2-enoic acid
IUPAC Name: (E)-4-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]but-2-enoic acid
SYSTEMATIC NAME: (E)-4-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]but-2-enoic acid
MOLECULAR FORMULA: C15H18N2O4
MOLECULAR WEIGHT: 290.31442
SMILES: CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC/C=C/C(=O)O
Structure:
CAS RN: 89711-10-4
CAS Name: 2-[4-[(E)-2-(1-naphthalenyl)ethenyl]-1-pyridin-1-iumyl]acetic acid
OPENEYE Name: 2-[4-[(E)-2-(1-naphthyl)vinyl]pyridin-1-ium-1-yl]acetic acid
IUPAC Name: 2-[4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]acetic acid
SYSTEMATIC NAME: 2-[4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium-1-yl]ethanoic acid
MOLECULAR FORMULA: C19H16NO2+
MOLECULAR WEIGHT: 290.33584
SMILES: C1=CC=C2C(=C1)C=CC=C2/C=C/C3=CC=[N+](C=C3)CC(=O)O
Structure:
CAS RN: 89648-76-0
CAS Name: (Z)-7-[(1R,2S)-2-[(3S,4S)-3-hydroxy-4-methyloct-1-ynyl]-5-oxocyclopentyl]-5-heptenoic acid methyl ester
OPENEYE Name: methyl (Z)-7-[(1R,2S)-2-[(3S,4S)-3-hydroxy-4-methyl-oct-1-ynyl]-5-oxo-cyclopentyl]hept-5-enoate
IUPAC Name: methyl (Z)-7-[(1R,2S)-2-[(3S,4S)-3-hydroxy-4-methyloct-1-ynyl]-5-oxocyclopentyl]hept-5-enoate
SYSTEMATIC NAME: methyl (Z)-7-[(1R,2S)-2-[(3S,4S)-4-methyl-3-oxidanyl-oct-1-ynyl]-5-oxidanylidene-cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C22H34O4
MOLECULAR WEIGHT: 362.50296
SMILES: CCCC[C@H](C)[C@@H](C#C[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)OC)O
Structure:
CAS RN: 111200-21-6
CAS Name: (Z)-7-[(1S,4R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1S,4R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1S,4R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1S,4R,5S)-3-[(E,3S)-3-oxidanyloct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
MOLECULAR FORMULA: C21H34O3S
MOLECULAR WEIGHT: 366.55786
SMILES: CCCCC[C@@H](/C=C/C1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)S2)O
Structure:
CAS RN: 89617-02-7
CAS Name: (Z)-7-[(1S,4R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1S,4R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1S,4R,5S)-3-[(E,3S)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1S,4R,5S)-3-[(E,3S)-3-oxidanyloct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
MOLECULAR FORMULA: C21H34O3S
MOLECULAR WEIGHT: 366.55786
SMILES: CCCCC[C@@H](/C=C/C1C[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)S2)O
Structure:
CAS RN: 7570-36-7
CAS Name: 4-[(E)-2-(4-chlorophenyl)ethenyl]aniline
OPENEYE Name: 4-[(E)-2-(4-chlorophenyl)vinyl]aniline
IUPAC Name: 4-[(E)-2-(4-chlorophenyl)ethenyl]aniline
SYSTEMATIC NAME: 4-[(E)-2-(4-chlorophenyl)ethenyl]aniline
MOLECULAR FORMULA: C14H12ClN
MOLECULAR WEIGHT: 229.70478
SMILES: C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)Cl)N
Structure:
CAS RN: 89321-96-0
CAS Name: (3R,3aR,5S,7E,7aS)-7-[(2Z)-2-[(5R)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-3a-methyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7a-hexahydro-1H-inden-5-ol
OPENEYE Name: (3R,3aR,5S,7E,7aS)-3-[(1R)-1,5-dimethylhexyl]-7-[(2Z)-2-[(5R)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-3a-methyl-2,3,4,5,6,7a-hexahydro-1H-inden-5-ol
IUPAC Name: (3R,3aR,5S,7E,7aS)-7-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-3a-methyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7a-hexahydro-1H-inden-5-ol
SYSTEMATIC NAME: (3R,3aR,5S,7E,7aS)-3a-methyl-3-[(2R)-6-methylheptan-2-yl]-7-[(2Z)-2-[(5R)-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,4,5,6,7a-hexahydro-1H-inden-5-ol
MOLECULAR FORMULA: C27H44O2
MOLECULAR WEIGHT: 400.63706
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(C[C@H](C/C2=C\C=C/3\C[C@@H](CCC3=C)O)O)C
Structure:
CAS RN: 89315-18-4
CAS Name: 4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid
OPENEYE Name: 4-[(E)-2-(4,4-dimethyltetralin-6-yl)prop-1-enyl]benzoic acid
IUPAC Name: 4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid
MOLECULAR FORMULA: C22H24O2
MOLECULAR WEIGHT: 320.42476
SMILES: C/C(=C\C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(CCCC3(C)C)C=C2
Structure:
CAS RN: 89203-60-1
CAS Name: 1-[(Z)-4-(3-methoxyphenyl)-4-phenylbut-3-enyl]-3-piperidinecarboxylic acid
OPENEYE Name: 1-[(Z)-4-(3-methoxyphenyl)-4-phenyl-but-3-enyl]piperidine-3-carboxylic acid
IUPAC Name: 1-[(Z)-4-(3-methoxyphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
SYSTEMATIC NAME: 1-[(Z)-4-(3-methoxyphenyl)-4-phenyl-but-3-enyl]piperidine-3-carboxylic acid
MOLECULAR FORMULA: C23H27NO3
MOLECULAR WEIGHT: 365.46538
SMILES: COC1=CC=CC(=C1)/C(=C\CCN2CCCC(C2)C(=O)O)/C3=CC=CC=C3
Structure:
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